CID 71744209

1261851-55-1

Structural Information

Molecular Formula
C9H7F3O3
SMILES
C1=CC(=C(C=C1CC(=O)O)F)OC(F)F
InChI
InChI=1S/C9H7F3O3/c10-6-3-5(4-8(13)14)1-2-7(6)15-9(11)12/h1-3,9H,4H2,(H,13,14)
InChIKey
VHFMSYGWFHDRBD-UHFFFAOYSA-N
Compound name
2-[4-(difluoromethoxy)-3-fluorophenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03473 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04201 148.3
[M+Na]+ 243.02395 156.7
[M+NH4]+ 238.06855 152.9
[M+K]+ 258.99789 152.6
[M-H]- 219.02745 144.3
[M+Na-2H]- 241.00940 150.8
[M]+ 220.03418 147.9
[M]- 220.03528 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.